N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide

C22H29NO4 — CID 24632596

IUPACN-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C1CCCCC1
InChIInChI=1S/C22H29NO4/c1-4-23(16-8-6-5-7-9-16)21(24)13-12-19-15(2)18-11-10-17(26-3)14-20(18)27-22(19)25/h10-11,14,16H,4-9,12-13H2,1-3H3
InChIKeyAZXZVAHTSNLJCH-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.22
Rot. Bonds6

About N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide

N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (PubChem CID 24632596) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
PubChem CID24632596
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C1CCCCC1
InChIInChI=1S/C22H29NO4/c1-4-23(16-8-6-5-7-9-16)21(24)13-12-19-15(2)18-11-10-17(26-3)14-20(18)27-22(19)25/h10-11,14,16H,4-9,12-13H2,1-3H3
InChIKeyAZXZVAHTSNLJCH-UHFFFAOYSA-N
XLogP4.22
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 134060988
N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 34449428
N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
CID 51272059
7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
CID 4914201
3-[3-(4-cyclopentylpiperazin-1-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 134020798
(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 40653207
ethyl 1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-4-carboxylate
CID 46689733
(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 39889964
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55690999
N-(3-amino-2,2-dimethylpropyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
CID 119653240
N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 18156097
N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 171909127

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (CID 24632596) is N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is CCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The InChIKey is AZXZVAHTSNLJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-4-23(16-8-6-5-7-9-16)21(24)13-12-19-15(2)18-11-10-17(26-3)14-20(18)27-22(19)25/h10-11,14,16H,4-9,12-13H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide has a molecular weight of 371.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is sourced from PubChem (CID 24632596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).